TL;DR: Salicylic acid, 4-(2-(diethylamino)acetamido)-, butyl ester, hydrochloride (CAS 14025-51-5) is a chemical compound with molecular formula C17H27ClN2O4 and molecular weight 358.16592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;hydrochloride
Also Known As: Butyl 4-(2-(diethylamino)acetylamino)salicylate, hydrochloride, Salicylic acid, 4-(2-(diethylamino)acetamido)-, butyl ester, hydrochloride, butyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate hydrochloride, Butyl 4-[(N,N-diethylglycyl)amino]-2-hydroxybenzoate--hydrogen chloride (1/1), Salicylic acid, 4-[2-(diethylamino)acetamido]-, butyl ester, monohydrochloride
| Molecular Formula | C17H27ClN2O4 |
| Molecular Weight | 358.16592 g/mol |
| XLogP | 3.0512 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 358.16592 Da |
| Heavy Atoms | 24 |
| Complexity | 372.0 |
| SMILES | CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CN(CC)CC)O.Cl |
| InChIKey | AOLNWBONBSDLIG-UHFFFAOYSA-N |
The XLogP value of 3.0512 indicates that Salicylic acid, 4-(2-(diethylamino)acetamido)-, butyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicylic acid, 4-(2-(diethylamino)acetamido)-, butyl ester, hydrochloride. Following Lipinski's Rule of Five, Salicylic acid, 4-(2-(diethylamino)acetamido)-, butyl ester, hydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Salicylic acid, 4-(2-(diethylamino)acetamido)-, butyl ester, hydrochloride is 14025-51-5.
The molecular formula of Salicylic acid, 4-(2-(diethylamino)acetamido)-, butyl ester, hydrochloride is C17H27ClN2O4.
The molecular weight of Salicylic acid, 4-(2-(diethylamino)acetamido)-, butyl ester, hydrochloride is 358.16592 g/mol.
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